2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C14H16N6O — CID 56781057

IUPAC2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1cnn(CCNCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H16N6O/c1-11-8-17-20(10-11)7-6-15-9-13-18-14(19-21-13)12-4-2-3-5-16-12/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyUCNKBZSRECEPFS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.43
Rot. Bonds6

About 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 56781057) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID56781057
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCc1cnn(CCNCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H16N6O/c1-11-8-17-20(10-11)7-6-15-9-13-18-14(19-21-13)12-4-2-3-5-16-12/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyUCNKBZSRECEPFS-UHFFFAOYSA-N
XLogP1.43
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 56781057) is 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is Cc1cnn(CCNCc2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is UCNKBZSRECEPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-11-8-17-20(10-11)7-6-15-9-13-18-14(19-21-13)12-4-2-3-5-16-12/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 284.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 56781057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).